Summary

IMPPAT Phytochemical identifier: IMPHY015201

Phytochemical name: 1-Propyltrithiopropane

Synonymous chemical names:
1-propyl-trithio-propane

External chemical identifiers:
CID:119097326

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Chemical structure information

SMILES:
CCCC(C(S)C)(S)S

InChI:
InChI=1S/C6H14S3/c1-3-4-6(8,9)5(2)7/h5,7-9H,3-4H2,1-2H3

InChIKey:
CZPIJYNHCQSOEK-UHFFFAOYSA-N

DeepSMILES:
CCCCCS)C))S)S

Functional groups:
CC(C)(S)S, CS

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organosulfur compounds

ClassyFire Class: Thiols

ClassyFire Subclass: Alkylthiols

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP-Likeness score: 0.201

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Chemical structure download